==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-FEB-08 2K18 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.Y.DENISOV,P.MAATTANEN,C.DABROWSKI,G.KOZLOV,D.Y.THOMAS, . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 116 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.7 5.9 -23.0 -14.3 2 2 A P + 0 0 139 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.483 360.0 93.6 -68.9 89.6 6.3 -26.1 -16.4 3 3 A L + 0 0 170 -2,-1.5 0, 0.0 1,-0.2 0, 0.0 -0.913 39.3 71.8-175.2 148.2 4.9 -24.8 -19.7 4 4 A G + 0 0 69 -2,-0.3 -1,-0.2 1,-0.1 0, 0.0 0.630 41.8 172.5 103.4 102.8 6.1 -23.2 -23.0 5 5 A S - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.997 39.9 -89.7-141.9 144.9 7.9 -25.1 -25.7 6 6 A P - 0 0 96 0, 0.0 -2,-0.0 0, 0.0 42,-0.0 -0.181 27.5-136.6 -52.0 138.7 9.1 -24.3 -29.3 7 7 A A S S+ 0 0 19 37,-0.1 48,-1.0 47,-0.1 2,-0.4 0.798 89.4 71.1 -67.4 -28.9 6.5 -25.2 -31.9 8 8 A A E S-a 55 0A 13 46,-0.2 2,-0.6 48,-0.1 48,-0.3 -0.773 72.1-155.1 -95.0 132.6 9.3 -26.6 -34.0 9 9 A T E -a 56 0A 46 46,-2.9 48,-1.2 -2,-0.4 2,-0.5 -0.929 4.4-160.6-111.6 119.3 11.0 -29.9 -33.0 10 10 A T E -a 57 0A 91 -2,-0.6 48,-0.2 46,-0.3 46,-0.0 -0.869 4.5-170.0-103.6 124.5 14.5 -30.6 -34.1 11 11 A L - 0 0 9 46,-1.0 49,-0.2 -2,-0.5 6,-0.1 -0.933 14.4-163.8-116.0 111.6 15.8 -34.2 -34.0 12 12 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.351 81.0 30.6 -73.1 9.2 19.5 -34.7 -34.6 13 13 A D S > S- 0 0 66 1,-0.1 4,-1.5 49,-0.1 50,-0.0 -0.964 89.0-103.9-156.1 168.8 18.7 -38.4 -35.2 14 14 A G H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.907 115.7 58.9 -64.9 -42.4 15.9 -40.6 -36.6 15 15 A A H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 107.8 44.8 -53.5 -48.5 14.9 -41.7 -33.1 16 16 A A H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 110.8 57.3 -65.8 -33.3 14.1 -38.2 -32.0 17 17 A A H X S+ 0 0 30 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.956 105.6 47.1 -61.3 -52.8 12.4 -37.6 -35.3 18 18 A E H X S+ 0 0 122 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.831 106.5 62.1 -59.2 -32.6 9.9 -40.5 -34.9 19 19 A S H X S+ 0 0 83 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.958 103.5 45.8 -58.9 -52.7 9.2 -39.2 -31.3 20 20 A L H < S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.0 52.7 -58.5 -38.2 7.9 -35.8 -32.5 21 21 A V H >< S+ 0 0 42 -4,-1.7 3,-3.9 1,-0.2 -2,-0.2 0.974 103.6 53.3 -62.4 -56.7 5.8 -37.6 -35.1 22 22 A E H 3< S+ 0 0 165 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 103.8 59.7 -49.0 -30.9 4.1 -40.0 -32.6 23 23 A S T 3< S+ 0 0 110 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.3 0.467 116.4 33.6 -77.6 -0.5 3.2 -36.8 -30.6 24 24 A S S < S- 0 0 13 -3,-3.9 -1,-0.2 1,-0.1 3,-0.1 -0.898 72.8-136.8-158.9 125.1 1.3 -35.7 -33.7 25 25 A E S S+ 0 0 141 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.904 98.2 20.1 -43.6 -54.4 -0.7 -37.5 -36.4 26 26 A V S S+ 0 0 15 52,-0.1 2,-0.3 -3,-0.1 52,-0.2 -0.969 74.4 164.3-124.4 137.2 0.8 -35.4 -39.1 27 27 A A E -B 77 0A 0 50,-1.4 50,-3.2 -2,-0.4 2,-0.4 -0.995 24.2-141.2-150.6 150.4 4.0 -33.3 -39.0 28 28 A V E -Bc 76 55A 1 26,-1.7 28,-3.0 -2,-0.3 2,-0.4 -0.949 14.0-161.7-118.4 133.8 6.5 -31.6 -41.3 29 29 A I E -Bc 75 56A 10 46,-2.9 46,-3.6 -2,-0.4 2,-0.4 -0.886 3.3-154.8-114.2 144.5 10.3 -31.4 -40.9 30 30 A G E -Bc 74 57A 0 26,-3.1 28,-2.2 -2,-0.4 2,-0.7 -0.958 9.6-140.8-121.6 136.2 12.7 -29.1 -42.6 31 31 A F E +Bc 73 58A 12 42,-2.3 42,-2.4 -2,-0.4 2,-0.4 -0.834 29.3 167.8 -97.3 116.4 16.4 -29.6 -43.3 32 32 A F - 0 0 25 26,-1.9 3,-0.3 -2,-0.7 -2,-0.0 -0.992 24.3-170.7-132.1 128.4 18.5 -26.5 -42.7 33 33 A K S S+ 0 0 137 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.914 89.7 26.4 -80.2 -46.9 22.3 -26.3 -42.5 34 34 A D > + 0 0 99 1,-0.1 3,-2.5 2,-0.0 6,-0.3 -0.743 61.5 177.8-121.7 83.2 22.6 -22.8 -41.2 35 35 A V T 3 S+ 0 0 57 -2,-0.5 6,-0.2 -3,-0.3 -1,-0.1 0.642 74.2 82.2 -57.7 -12.6 19.5 -21.8 -39.3 36 36 A E T 3 S+ 0 0 164 4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.687 70.6 101.2 -66.4 -18.1 21.3 -18.5 -38.7 37 37 A S S X> S- 0 0 63 -3,-2.5 4,-1.4 1,-0.1 3,-0.8 -0.429 88.5-117.5 -71.0 142.9 20.1 -17.4 -42.2 38 38 A D H 3> S+ 0 0 138 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.782 114.5 63.9 -48.6 -29.6 17.0 -15.1 -42.3 39 39 A S H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.953 99.4 49.7 -60.0 -53.0 15.3 -18.0 -44.2 40 40 A A H <> S+ 0 0 4 -3,-0.8 4,-1.5 -6,-0.3 -1,-0.2 0.869 109.9 52.1 -54.7 -41.0 15.4 -20.3 -41.2 41 41 A K H X S+ 0 0 100 -4,-1.4 4,-2.4 2,-0.2 3,-0.2 0.932 107.8 50.9 -63.0 -46.8 14.0 -17.6 -39.0 42 42 A Q H X S+ 0 0 87 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.906 107.7 53.3 -57.5 -43.4 11.1 -17.0 -41.3 43 43 A F H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.854 109.6 50.0 -60.4 -35.3 10.3 -20.7 -41.4 44 44 A L H X S+ 0 0 54 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.925 106.3 52.4 -69.5 -47.6 10.2 -20.7 -37.6 45 45 A Q H X S+ 0 0 130 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.807 111.8 49.9 -58.5 -30.7 7.9 -17.7 -37.3 46 46 A A H X S+ 0 0 3 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.945 104.8 53.5 -73.5 -52.4 5.5 -19.6 -39.6 47 47 A A H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.832 113.9 45.8 -52.7 -34.1 5.5 -22.9 -37.8 48 48 A E H < S+ 0 0 94 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 103.4 61.3 -76.9 -40.5 4.5 -21.0 -34.7 49 49 A A H < S+ 0 0 69 -4,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.801 112.2 42.4 -56.7 -29.3 1.9 -18.9 -36.4 50 50 A I < + 0 0 26 -4,-1.6 3,-0.4 3,-0.1 -1,-0.2 -0.952 57.1 174.6-126.5 112.7 0.1 -22.2 -37.2 51 51 A D + 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.192 57.8 102.6 -97.4 14.1 -0.1 -24.9 -34.5 52 52 A D S S+ 0 0 84 1,-0.3 -1,-0.2 -5,-0.1 -5,-0.0 0.903 94.5 17.1 -63.0 -42.1 -2.3 -27.0 -36.7 53 53 A I S S- 0 0 0 -3,-0.4 -1,-0.3 -6,-0.2 -25,-0.2 -0.939 87.0-121.1-138.3 115.2 0.6 -29.3 -37.5 54 54 A P - 0 0 44 0, 0.0 -26,-1.7 0, 0.0 2,-0.3 -0.153 28.3-147.6 -52.1 142.2 3.9 -29.4 -35.5 55 55 A F E -ac 8 28A 2 -48,-1.0 -46,-2.9 -28,-0.2 2,-0.3 -0.879 12.4-167.4-116.6 147.6 7.0 -28.7 -37.5 56 56 A G E -ac 9 29A 0 -28,-3.0 -26,-3.1 -2,-0.3 2,-0.3 -0.853 4.3-155.1-130.3 165.9 10.5 -30.0 -37.1 57 57 A I E -ac 10 30A 11 -48,-1.2 -46,-1.0 -2,-0.3 2,-0.3 -0.979 8.6-178.7-141.5 153.4 14.0 -29.3 -38.3 58 58 A T E + c 0 31A 6 -28,-2.2 -26,-1.9 -2,-0.3 -48,-0.0 -0.996 19.7 168.8-152.7 149.9 17.3 -31.1 -38.8 59 59 A S + 0 0 65 -2,-0.3 2,-0.2 -28,-0.2 -1,-0.1 0.219 43.3 122.5-143.9 10.0 20.8 -30.5 -39.9 60 60 A N >> - 0 0 64 -49,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.566 60.7-136.6 -81.0 142.4 22.6 -33.7 -39.0 61 61 A S H 3> S+ 0 0 100 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.831 104.1 63.7 -64.2 -33.4 24.5 -35.6 -41.7 62 62 A D H 3> S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.838 100.7 52.4 -59.9 -34.9 23.1 -38.8 -40.3 63 63 A V H <> S+ 0 0 18 -3,-0.6 4,-1.8 2,-0.2 5,-0.2 0.952 106.4 50.1 -67.5 -52.5 19.5 -37.6 -41.1 64 64 A F H <>S+ 0 0 13 -4,-1.3 5,-3.4 1,-0.2 4,-0.5 0.918 109.3 53.1 -53.0 -46.5 20.2 -36.8 -44.8 65 65 A S H ><5S+ 0 0 83 -4,-2.0 3,-1.0 3,-0.3 -1,-0.2 0.898 104.9 55.3 -56.5 -43.1 21.8 -40.2 -45.3 66 66 A K H 3<5S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.903 117.0 35.2 -57.7 -43.1 18.7 -41.9 -43.9 67 67 A Y T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.344 118.1-112.7 -93.4 6.3 16.5 -40.1 -46.4 68 68 A Q T < 5S+ 0 0 157 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.3 0.939 71.3 136.5 63.4 48.5 19.2 -40.4 -49.1 69 69 A L < - 0 0 38 -5,-3.4 -1,-0.2 -8,-0.2 -2,-0.1 -0.864 39.1-178.4-124.5 159.0 19.8 -36.6 -49.2 70 70 A D + 0 0 139 -2,-0.3 2,-0.3 2,-0.2 -1,-0.1 0.166 69.5 51.6-139.9 13.8 23.0 -34.5 -49.3 71 71 A K S S- 0 0 149 1,-0.2 -1,-0.1 -7,-0.1 -40,-0.1 -0.968 89.9 -80.9-149.2 161.9 21.5 -31.0 -49.3 72 72 A D + 0 0 102 -2,-0.3 -40,-0.2 -3,-0.1 -1,-0.2 0.201 58.4 132.2 -51.1-178.9 19.0 -28.9 -47.3 73 73 A G E -B 31 0A 12 -42,-2.4 -42,-2.3 -4,-0.1 2,-0.4 -0.347 44.7-118.6 136.5 142.1 15.3 -29.1 -47.9 74 74 A V E -B 30 0A 9 -44,-0.3 13,-3.6 13,-0.2 2,-0.3 -0.868 24.6-173.4-111.1 142.4 12.0 -29.5 -46.0 75 75 A V E -BD 29 86A 1 -46,-3.6 -46,-2.9 -2,-0.4 2,-0.4 -0.992 18.0-133.5-136.5 142.3 9.5 -32.4 -46.2 76 76 A L E -BD 28 85A 1 9,-1.2 9,-1.0 -2,-0.3 2,-0.4 -0.802 17.6-145.4 -97.6 133.8 6.0 -32.9 -44.7 77 77 A F E +BD 27 84A 67 -50,-3.2 -50,-1.4 -2,-0.4 2,-0.3 -0.820 19.9 177.9-101.1 135.4 5.2 -36.2 -43.1 78 78 A K - 0 0 16 5,-1.7 -52,-0.1 -2,-0.4 27,-0.1 -0.970 35.3-129.3-135.6 150.1 1.7 -37.8 -43.3 79 79 A K S S+ 0 0 153 -2,-0.3 2,-0.2 -54,-0.1 -1,-0.1 0.967 92.8 6.6 -59.1 -56.7 0.1 -41.0 -42.0 80 80 A F S > S+ 0 0 114 -3,-0.1 3,-0.8 3,-0.0 2,-0.3 -0.447 109.4 40.6-115.3-170.5 -1.4 -41.9 -45.4 81 81 A D T 3 S- 0 0 50 1,-0.2 -3,-0.0 -2,-0.2 66,-0.0 -0.543 126.6 -14.4 72.0-127.4 -1.2 -40.6 -49.0 82 82 A E T 3 S- 0 0 55 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.881 73.9-156.9 -77.4 -39.5 2.4 -39.6 -49.9 83 83 A G S < S+ 0 0 13 -3,-0.8 -5,-1.7 -6,-0.0 2,-0.3 -0.063 73.3 46.4 87.5 -34.4 3.7 -39.5 -46.4 84 84 A R E -D 77 0A 123 -7,-0.3 2,-0.4 -2,-0.1 -7,-0.2 -0.989 58.9-177.1-144.7 131.4 6.5 -37.1 -47.4 85 85 A N E -D 76 0A 26 -9,-1.0 -9,-1.2 -2,-0.3 2,-0.3 -0.865 16.2-151.4-132.6 98.8 6.3 -33.9 -49.5 86 86 A N E -D 75 0A 65 -2,-0.4 -11,-0.3 -11,-0.3 -56,-0.1 -0.538 26.5-115.4 -72.3 125.9 9.7 -32.2 -50.1 87 87 A F - 0 0 38 -13,-3.6 -13,-0.2 -2,-0.3 -1,-0.1 -0.307 21.1-119.6 -61.8 141.0 9.3 -28.4 -50.6 88 88 A E - 0 0 186 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.939 55.8 -92.8 -43.7 -67.9 10.2 -27.1 -54.1 89 89 A G S S+ 0 0 52 1,-0.3 2,-0.4 -16,-0.0 -1,-0.1 0.129 90.6 106.8 177.6 -43.1 12.9 -24.8 -52.9 90 90 A E - 0 0 152 1,-0.1 2,-0.9 5,-0.0 -1,-0.3 -0.451 57.3-148.8 -63.7 117.1 11.7 -21.3 -52.2 91 91 A V + 0 0 53 -2,-0.4 2,-0.4 -3,-0.1 -49,-0.1 -0.773 32.6 153.4 -93.2 102.5 11.6 -20.8 -48.4 92 92 A T > - 0 0 42 -2,-0.9 4,-2.3 1,-0.1 5,-0.2 -0.988 45.1-141.1-132.6 140.3 8.8 -18.4 -47.5 93 93 A K H > S+ 0 0 91 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.909 107.0 39.0 -60.6 -46.0 6.7 -18.0 -44.3 94 94 A E H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.955 119.1 45.0 -71.5 -51.3 3.5 -17.3 -46.2 95 95 A N H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.811 114.2 52.0 -63.0 -29.8 4.1 -19.8 -49.0 96 96 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.921 104.7 54.2 -73.3 -42.5 5.1 -22.4 -46.5 97 97 A L H X S+ 0 0 38 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.879 110.5 47.9 -57.5 -39.7 2.0 -21.9 -44.4 98 98 A D H X S+ 0 0 59 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.946 110.8 48.8 -66.9 -50.3 -0.2 -22.5 -47.4 99 99 A F H X S+ 0 0 64 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.875 113.5 48.8 -58.0 -39.2 1.7 -25.7 -48.6 100 100 A I H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.956 114.7 42.3 -66.5 -51.8 1.5 -27.1 -45.0 101 101 A K H < S+ 0 0 77 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.853 118.3 47.2 -63.7 -35.5 -2.2 -26.4 -44.6 102 102 A H H < S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.732 120.6 38.1 -77.9 -23.4 -2.9 -27.6 -48.1 103 103 A N H < S+ 0 0 11 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.563 95.6 81.8-101.5 -13.7 -0.7 -30.7 -47.6 104 104 A Q S < S+ 0 0 18 -4,-2.1 -2,-0.1 -5,-0.1 -3,-0.1 0.747 92.0 59.9 -62.5 -23.8 -1.8 -31.3 -44.0 105 105 A L S S- 0 0 40 -4,-0.4 4,-0.1 -5,-0.1 -27,-0.0 -0.735 94.8 -99.5-107.1 156.5 -4.9 -33.0 -45.4 106 106 A P - 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